[4-(4-chloro-3-methylbenzoyl)phenyl]-(4-chloro-3-methylphenyl)methanone

C22H16Cl2O2 — CID 5143805

IUPAC[4-(4-chloro-3-methylbenzoyl)phenyl]-(4-chloro-3-methylphenyl)methanone
SMILESCc1cc(C(=O)c2ccc(C(=O)c3ccc(Cl)c(C)c3)cc2)ccc1Cl
InChIInChI=1S/C22H16Cl2O2/c1-13-11-17(7-9-19(13)23)21(25)15-3-5-16(6-4-15)22(26)18-8-10-20(24)14(2)12-18/h3-12H,1-2H3
InChIKeyOJSJJEHEFLMDGO-UHFFFAOYSA-N
MW383.27 g/mol
LogP6.07
Rot. Bonds4

About [4-(4-chloro-3-methylbenzoyl)phenyl]-(4-chloro-3-methylphenyl)methanone

[4-(4-chloro-3-methylbenzoyl)phenyl]-(4-chloro-3-methylphenyl)methanone (PubChem CID 5143805) has the molecular formula C22H16Cl2O2 and a molecular weight of 383.27 g/mol. Its IUPAC name is [4-(4-chloro-3-methylbenzoyl)phenyl]-(4-chloro-3-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(4-chloro-3-methylbenzoyl)phenyl]-(4-chloro-3-methylphenyl)methanone
PubChem CID5143805
Molecular FormulaC22H16Cl2O2
Molecular Weight383.27 g/mol
Exact Mass382.05
IUPAC Name[4-(4-chloro-3-methylbenzoyl)phenyl]-(4-chloro-3-methylphenyl)methanone
SMILESCc1cc(C(=O)c2ccc(C(=O)c3ccc(Cl)c(C)c3)cc2)ccc1Cl
InChIInChI=1S/C22H16Cl2O2/c1-13-11-17(7-9-19(13)23)21(25)15-3-5-16(6-4-15)22(26)18-8-10-20(24)14(2)12-18/h3-12H,1-2H3
InChIKeyOJSJJEHEFLMDGO-UHFFFAOYSA-N
XLogP6.07
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.27
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [4-(4-chloro-3-methylbenzoyl)phenyl]-(4-chloro-3-methylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-chloro-3-methylphenyl)-(4-iodophenyl)methanone
CID 24723124
(4-chloro-3-methylphenyl)-(3-methylphenyl)methanone
CID 112694024
(4-chloro-3-methylphenyl)-(4-isothiocyanatophenyl)methanone
CID 157149830
1-(4-chloro-3-methylphenyl)ethanone;ethane
CID 143383173
1-(4-chloro-3-methylphenyl)-2,2-dimethylpropan-1-one
CID 58252483
(4-chloro-3-methylphenyl)-(furan-2-yl)methanone
CID 91636318
1-(4-chloro-3-methylphenyl)-2,2-difluoroethanone
CID 91658550
1-(4-chloro-3-methylphenyl)-2-methylprop-2-en-1-one
CID 112698739
(4-chloro-3-methylphenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanone
CID 115805043
(4-bromo-5-methylthiophen-2-yl)-(4-chloro-3-methylphenyl)methanone
CID 102826674
(2-chloro-3-fluorophenyl)-(4-chloro-3-methylphenyl)methanone
CID 146005889
(3-amino-4-chlorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanone
CID 65298208

Frequently Asked Questions

What is the IUPAC name of [4-(4-chloro-3-methylbenzoyl)phenyl]-(4-chloro-3-methylphenyl)methanone?
The IUPAC name of [4-(4-chloro-3-methylbenzoyl)phenyl]-(4-chloro-3-methylphenyl)methanone (CID 5143805) is [4-(4-chloro-3-methylbenzoyl)phenyl]-(4-chloro-3-methylphenyl)methanone.
What is the SMILES notation for [4-(4-chloro-3-methylbenzoyl)phenyl]-(4-chloro-3-methylphenyl)methanone?
The canonical SMILES for [4-(4-chloro-3-methylbenzoyl)phenyl]-(4-chloro-3-methylphenyl)methanone is Cc1cc(C(=O)c2ccc(C(=O)c3ccc(Cl)c(C)c3)cc2)ccc1Cl.
What is the InChIKey of [4-(4-chloro-3-methylbenzoyl)phenyl]-(4-chloro-3-methylphenyl)methanone?
The InChIKey is OJSJJEHEFLMDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2O2/c1-13-11-17(7-9-19(13)23)21(25)15-3-5-16(6-4-15)22(26)18-8-10-20(24)14(2)12-18/h3-12H,1-2H3.
What are the key properties of [4-(4-chloro-3-methylbenzoyl)phenyl]-(4-chloro-3-methylphenyl)methanone?
[4-(4-chloro-3-methylbenzoyl)phenyl]-(4-chloro-3-methylphenyl)methanone has a molecular weight of 383.27 g/mol, XLogP of 6.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chloro-3-methylbenzoyl)phenyl]-(4-chloro-3-methylphenyl)methanone is sourced from PubChem (CID 5143805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).